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IBS-ZINC02352688

 MMsINC code: MMs01840881
Type: Neutral
Formula: C5H9O6P
SMILES:   [PH](O)(=O)CC(CC(O)=O)C(O)=O
InChI:   InChI=1/C5H9O6P/c6-4(7)1-3(5(8)9)2-12(10)11/h3,12H,1-2H2,(H,6,7)(H,8,9)(H,10,11)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-24.6592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.095 g/mol  logS: 0.74695  SlogP: -1.4413  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109379  Sterimol/B1: 2.54819  Sterimol/B2: 2.68459  Sterimol/B3: 3.96962
  Sterimol/B4: 5.19705  Sterimol/L: 11.8961 
 
 Surface and Volume Properties
  Accessible surface: 349.389  Positive charged surface: 191.873  Negative charged surface: 157.516  Volume: 149
  Hydrophobic surface: 95.2283  Hydrophilic surface: 254.1607
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs01840882
IBS-ZINC02352688